Geometry & MOs

Info

ID:

433715

PubChem CID:

135173855

Reduced:

BrClO2N8H24C29 (1)

Stoich.:

ABC2D8E24F29 (1)

Weight, g/mol:

654.298621

ΔHf, kcal/mol:

62.17

Dipole, Da:

2.39

IP(EA), eV:

 -8.83(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]-2-methylphenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=NC3=C2N=CC(=C3)Br)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)C=O)Cl

DOS

IR

Vibrations